SCHEMBL11694239

SCHEMBL11694239

COc1ccc(-c2ccc(F)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
SYK P43405 2/20 0.47
GCGR P47871 1/20 0.47
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SQOR Q9Y6N5 1/20 0.44
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NFE2L2 Q16236 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31265226 1.00 GSK3B (0.48) GSK3BSYKGCGRMAPK14ALDH1A1
SCHEMBL1262207 0.82 GRM2 (0.48) GCGRMAPK14KDM4ENPC1RAB9A
SCHEMBL31067069 0.82 GRM2 (0.48) GCGRMAPK14KDM4ENPC1RAB9A
SCHEMBL6068558 0.81 CYP2C19 (0.55) GSK3BSYKGCGRMAPK14ALDH1A1
SCHEMBL31066929 0.81 GRM2 (0.47) GCGRMAPK14KDM4ENPC1RAB9A
SCHEMBL11691477 0.80 SYK (0.48) GSK3BSYKGCGRMAPK14ALDH1A1
SCHEMBL26572467 0.79 HSD11B1 (0.46) GCGRMAPK14KDM4EMEN1KMT2A
SCHEMBL16297083 0.78 CYP1A1 (0.51) MAPK14ALDH1A1KDM4EHPGDNPC1
SCHEMBL30979851 0.78 NFE2L2 (0.51) GSK3BSYKGCGRMAPK14ALDH1A1
SCHEMBL1848218 0.78 OPRD1 (0.55) GSK3BMAPK14KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 US disclosed